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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-4,8-dihydro-
SpectraBase Compound ID IhCi1cQlDZN
InChI InChI=1S/C13H11N3O3S/c17-11-5-20-12(8-4-14-16-13(8)15-11)7-1-2-9-10(3-7)19-6-18-9/h1-4,12H,5-6H2,(H2,14,15,16,17)
InChIKey JWKPKSNBPSXVQT-UHFFFAOYSA-N
Mol Weight 289.31 g/mol
Molecular Formula C13H11N3O3S
Exact Mass 289.052112 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KBvEVdiinFX
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-4,8-dihydro-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C13H11N3O3S/c17-11-5-20-12(8-4-14-16-13(8)15-11)7-1-2-9-10(3-7)19-6-18-9/h1-4,12H,5-6H2,(H2,14,15,16,17)
InChIKey JWKPKSNBPSXVQT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3898
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/17231950; Labnumber: DUD-0000006